[gmx-users] fast rerun in order to get an energy
madlen12 at o2.pl
Fri Jul 9 17:59:43 CEST 2010
Hi, i will be grateful for any clue.
Is it possible to extract an energy from finished trajectory? In my case the trajectory wasn't leading with flag e so it's obvious that I haven't got any edr files.
I know that in log file there is some information about energy but I would like to have it in one file. My trajectory is quite long so that why I wouldn't like to start calcultations from the beginnig in order to achieve right files. If somebody had a similar situation then would be so kind and instruct me in right direction?
Thanks in advance
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